3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea
TL;DR: 3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea (CAS 107598-63-0) is a chemical compound with molecular formula C13H20N2O2 and molecular weight 236.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(hydroxymethyl)-4-propan-2-ylphenyl]-1,1-dimethylurea
Also Known As: 3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea, 3-[3-(hydroxymethyl)-4-propan-2-ylphenyl]-1,1-dimethylurea, 3-[3-(hydroxymethyl)-4-propan-2-yl-phenyl]-1,1-dimethyl-urea, N'-[3-(Hydroxymethyl)-4-(propan-2-yl)phenyl]-N,N-dimethylurea
| Molecular Formula | C13H20N2O2 |
|---|---|
| Molecular Weight | 236.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.15248 |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 107598-63-0 |
|---|---|
| SMILES | CC(C)C1=C(C=C(C=C1)NC(=O)N(C)C)CO |
| InChIKey | YEJNYCVARNZLSM-UHFFFAOYSA-N |
Product Overview
3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea (CAS 107598-63-0), with molecular formula C13H20N2O2 and molecular weight 236.15 g/mol. IUPAC: 3-[3-(hydroxymethyl)-4-propan-2-ylphenyl]-1,1-dimethylurea.
Chemical Property Profile of 3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea
Property Insights of 3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea. With a topological polar surface area (TPSA) of 52.6 Ų, 3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea?
The CAS number of 3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea is 107598-63-0.
What is the molecular formula of 3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea?
The molecular formula of 3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea is C13H20N2O2.
What is the molecular weight of 3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea?
The molecular weight of 3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea is 236.15 g/mol.
Where can I buy 3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea?
You can request a quote for 3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-(Hydroxymethyl)-4-propan-2-ylphenyl)-1,1-dimethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.